SCHEMBL14967153

SCHEMBL14967153

Cc1cc(C)c(CNC(=O)c2ccc(CCOc3ccccn3)cc2)c(O)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
SMN1; SMN2 Q16637 3/20 0.38
KLKB1 P03952 2/20 0.38
MAP4K1 Q92918 1/20 0.38
LMNA P02545 4/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
MAPK14 Q16539 2/20 0.38
RECQL P46063 1/20 0.38
HPGDS O60760 1/20 0.38
POLB P06746 2/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 1/20 0.37
MDM2 Q00987 1/20 0.37
PPARG P37231 1/20 0.37
PPARD Q03181 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL14966459 0.89 KLKB1 (0.40) KDM4EHPGDHSD17B10MEN1KMT2A
SCHEMBL14967111 0.88 LMNA (0.39) SMN1; SMN2KLKB1MAP4K1LMNAMAPK14
SCHEMBL14966659 0.87 LMNA (0.48) HPGDHSD17B10MEN1KMT2ASMN1; SMN2
SCHEMBL14966474 0.86 MAPK14 (0.44) KDM4EMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL14966879 0.85 MAPK14 (0.39) KDM4EMEN1KMT2ASMN1; SMN2KLKB1
SCHEMBL14966830 0.85 KLKB1 (0.44) KDM4EMEN1KMT2ASMN1; SMN2KLKB1
SCHEMBL14967113 0.84 LMNA (0.50) SMN1; SMN2LMNAMAPK14RECQLNPC1
SCHEMBL14966935 0.84 RAB9A (0.46) HPGDHSD17B10KMT2ALMNAMAPK14
SCHEMBL14966781 0.83 RAB9A (0.47) KDM4EHPGDSMN1; SMN2KLKB1LMNA
SCHEMBL14966778 0.83 NPC1 (0.49) SMN1; SMN2LMNAALDH1A1MAPTMAPK14

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2780014-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF Constellation Pharmaceuticals, Inc. (US) 2014-09-24 EP disclosed
WO-2013075083-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF CONSTELLATION PHARMACEUTICALS (US) 2013-05-23 WO disclosed